2HAL

An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors

Summary for 2HAL

Entry DOI	10.2210/pdb2hal/pdb
Related	1HAV 1QA7 2A4O 2CXV 2H6M 2H9H
Related PRD ID	PRD_000242
Descriptor	Hepatitis A Protease 3C, N-ACETYL-LEUCYL-PHENYLALANYL-PHENYLALANYL-GLUTAMATE-FLUOROMETHYLKETONE INHIBITOR, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, ... (4 entities in total)
Functional Keywords	hepatitis a virus, 3c protease, inhibitor design, methylketone, episulfide, picornain, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Hepatitis A virus
Total number of polymer chains	2
Total formula weight	24110.77
Authors	Yin, J.,Cherney, M.M.,Bergmann, E.M.,James, M.N. (deposition date: 2006-06-13, release date: 2006-08-08, Last modification date: 2023-08-30)
Primary citation	Yin, J.,Cherney, M.M.,Bergmann, E.M.,Zhang, J.,Huitema, C.,Pettersson, H.,Eltis, L.D.,Vederas, J.C.,James, M.N. An Episulfide Cation (Thiiranium Ring) Trapped in the Active Site of HAV 3C Proteinase Inactivated by Peptide-based Ketone Inhibitors. J.Mol.Biol., 361:673-686, 2006 Cited by PubMed: 16860823 DOI: 10.1016/j.jmb.2006.06.047 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.35 Å)

Structure validation